[(2R,3S,4S,5R,6R)-6-[[(2R,4aR,7R,8R,8aS)-7-azido-6-oxidanyl-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy]-3,4,5-tris(2,2-dimethylpropanoyloxy)oxan-2-yl]methyl 2,2-dimethylpropanoate

Systemtic Name: [(2R,3S,4S,5R,6R)-6-[[(2R,4aR,7R,8R,8aS)-7-azido-6-oxidanyl-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy]-3,4,5-tris(2,2-dimethylpropanoyloxy)oxan-2-yl]methyl 2,2-dimethylpropanoate Openeye Name: [(2R,3S,4S,5R,6R)-6-[[(2R,4aR,7R,8R,8aS)-7-azido-6-hydroxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy]-3,4,5-tris(2,2-dimethylpropanoyloxy)tetrahydropyran-2-yl]methyl 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [(2R,3S,4S,5R,6R)-6-[[(2R,4aR,7R,8R,8aS)-7-azido-6-hydroxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy]-3,4,5-tris(2,2-dimethyl-1-oxopropoxy)-2-oxanyl]methyl ester IUPAC Name: [(2R,3S,4S,5R,6R)-6-[[(2R,4aR,7R,8R,8aS)-7-azido-6-hydroxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy]-3,4,5-tris(2,2-dimethylpropanoyloxy)oxan-2-yl]methyl 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid [(2R,3S,4S,5R,6R)-6-[[(2R,4aR,7R,8R,8aS)-7-azido-6-hydroxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy]-3,4,5-tripivaloyloxy-tetrahydropyran-2-yl]methyl ester Formula: C39H57N3O14 MolecularWeight: 791.88158

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)OCC1C(C(C(C(O1)OC2C(C(OC3C2OC(OC3)C4=CC=CC=C4)O)N=[N+]=[N-])OC(=O)C(C)(C)C)OC(=O)C(C)(C)C)OC(=O)C(C)(C)C

Isomeric SMILES

CC(C)(C)C(=O)OC[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@H]2[C@H]3[C@@H](CO[C@H](O3)C4=CC=CC=C4)OC([C@@H]2N=[N+]=[N-])O)OC(=O)C(C)(C)C)OC(=O)C(C)(C)C)OC(=O)C(C)(C)C

InChI

InChI=1S/C39H57N3O14/c1-36(2,3)32(44)49-19-22-25(54-33(45)37(4,5)6)27(55-34(46)38(7,8)9)28(56-35(47)39(10,11)12)31(51-22)53-26-23(41-42-40)29(43)50-21-18-48-30(52-24(21)26)20-16-14-13-15-17-20/h13-17,21-31,43H,18-19H2,1-12H3/t21-,22-,23-,24-,25+,26-,27+,28-,29?,30-,31+/m1/s1